Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
[Download fasta file] - [Download text file]

Binding Site Number :C8_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C8_S1
Complex: GUN_A_15(3BP1) / Model_1(3BP1/A) = [4.0] Download429.44-2.43MSVEQSLLGKETQYPTSYQPDVLFPIARAQSREKYAHIQGITQGKDWWHVFEISWLNAHGIPQVAIGRITLPASSPNLIESKSLKLYFNSLNFTQFDSTQSFIETVEKDLSAAAGAKVELTLFQVDDLETSKPQGICIDDLMPERLEQHPDATLLKLDESGEEIEVELYSHLLRSNCPVTSQPDWGTVFIRFKGKKPCYRSLLAYIISYRQHNGFHEQCVEQIFADIWQNLQPEKLMVYATYTRRGGLDINPCRVSDLTWMPKPIRLARQ
Complex: PRF_A_5(3S19) / Model_3(3S19/A) = [3.2] Download211.249.12MSVEQSLLGKETQYPTSYQPDVLFPIARAQSREKYAHIQGITQGKDWWHVFEISWLNAHGIPQVAIGRITLPASSPNLIESKSLKLYFNSLNFTQFDSTQSFIETVEKDLSAAAGAKVELTLFQVDDLETSKPQGICIDDLMPERLEQHPDATLLKLDESGEEIEVELYSHLLRSNCPVTSQPDWGTVFIRFKGKKPCYRSLLAYIISYRQHNGFHEQCVEQIFADIWQNLQPEKLMVYATYTRRGGLDINPCRVSDLTWMPKPIRLARQ
Consensus
[pKd Mean = 3.60]		-320
(s=109)		3
(s=5)		MSVEQSLLGKETQYPTSYQPDVLFPIARAQSREKYAHIQGITQGKDWWHVFEISWLNAHGIPQVAIGRITLPASSPNLIESKSLKLYFNSLNFTQFDSTQSFIETVEKDLSAAAGAKVELTLFQVDDLETSKPQGICIDDLMPERLEQHPDATLLKLDESGEEIEVELYSHLLRSNCPVTSQPDWGTVFIRFKGKKPCYRSLLAYIISYRQHNGFHEQCVEQIFADIWQNLQPEKLMVYATYTRRGGLDINPCRVSDLTWMPKPIRLARQ



Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)


Res_NameRes_NumRes_AtNb_ContactsNb_ComplexesNb[At_Ligand]
PHE24CD2424[N],
ILE26CG2622[C], 4[N],
ILE26CD12121[O], 9[N], 11[C],
ILE26CG11325[C], 8[N],
ASP46OD2624[N], 2[C],
ASP46OD1222[N],
ASP46CG222[N],
TRP48NE1822[C], 6[N],
TRP48CE31226[N], 6[C],
TRP48CE21226[N], 6[C],
TRP48CZ21828[C], 2[O], 8[N],
TRP48CD2826[N], 2[C],
TRP48CZ31828[C], 8[N], 2[O],
TRP48CD1422[N], 2[C],
TRP48CG222[N],
LEU71CD1222[N],
LEU78CG1628[C], 2[O], 6[N],
LEU78CD121210[C], 9[N], 2[O],
LEU78CD21626[N], 2[O], 8[C],
ILE79CG2622[C], 4[N],
ILE79CD1222[N],
ILE79CG1222[N],
GLU80CG23212[C], 9[N], 2[O],
GLU80OE119210[C], 9[N],
GLU80CD21212[C], 9[N],
GLU80OE22422[O], 10[N], 12[C],
SER81OG24212[C], 10[N], 2[O],
LYS82CG522[N], 3[C],
LYS82CD422[C], 2[N],
SER83OG626[N],
LEU84CG121[N],
LEU84CD2624[N], 2[C],
SER175OG421[N], 2[O], 1[C],
CYS177SG1227[C], 4[N], 1[O],
PRO178CD1227[C], 4[N], 1[O],
PRO178CG1227[C], 4[N], 1[O],
VAL179CG1521[N], 4[C],
VAL179CG2926[C], 3[N],
THR180CG2423[C], 1[N],
THR180OG1725[C], 2[N],
ASP184OD11722[O], 5[N], 10[C],
ASP184OD220211[C], 7[N], 2[O],
ASP184CG1822[O], 6[N], 10[C],
PHE215CE22422[O], 10[N], 12[C],
PHE215CD22422[O], 10[N], 12[C],
PHE215CG24212[C], 10[N], 2[O],
PHE215CD124212[C], 10[N], 2[O],
PHE215CE12422[O], 10[N], 12[C],
PHE215CZ2422[O], 10[N], 12[C],
HIS216NE224212[C], 10[N], 2[O],
HIS216CD22422[O], 10[N], 12[C],
HIS216ND12422[O], 10[N], 12[C],
HIS216CE12422[O], 10[N], 12[C],
HIS216CG2422[O], 10[N], 12[C],
GLU217OE22122[O], 9[N], 10[C],
GLU217CG1626[N], 2[O], 8[C],
GLU217CD2129[C], 10[N], 2[O],
GLU217OE124212[C], 10[N], 2[O],
GLN218CD1325[N], 2[O], 6[C],
GLN218OE11125[C], 4[N], 2[O],
GLN218CG1024[C], 2[O], 4[N],
GLN218NE21727[N], 2[O], 8[C],
TYR242CZ421[N], 2[O], 1[C],
TYR242CG522[C], 2[O], 1[N],
TYR242CD2622[N], 2[O], 2[C],
TYR242CD1421[N], 2[O], 1[C],
TYR242CE1421[N], 2[O], 1[C],
TYR242CE2522[C], 2[O], 1[N],
ARG245CG1722[O], 5[N], 10[C],
ARG245NE1026[C], 3[N], 1[O],
ARG245CD1521[O], 5[N], 9[C],
ARG245CZ926[C], 3[N],
ILE250CG21722[O], 7[N], 8[C],
ILE250CD12128[N], 2[O], 11[C],
ILE250CG121211[C], 2[O], 8[N],
PRO252CG622[N], 2[O], 2[C],
Total = 76



Download csv file of statistical distribution of contacts